UCSF

ZINC34677748

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 Yes

Popular Name: [2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]m [2-[[4-[(2S)-2-hydroxypentyl]pip…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 4.96 -51.19 2 9 1 87 472.61 9 ↓
Mid Mid (pH 6-8) 2.25 2.7 -11.33 1 9 0 86 471.602 9 ↓
Lo Low (pH 4.5-6) 2.25 4.94 -47.72 2 9 1 87 472.61 9 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )